⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3752995 | 0.98 | — | — | |
| SCHEMBL6780441 | 0.76 | NOS3 (0.43) | — | |
| SCHEMBL694811 | 0.73 | KDM4E (0.50) | — | |
| Hydrochloric Acid SCHEMBL3752997 | 0.72 | KDM4E (0.48) | — | |
| SCHEMBL25304206 | 0.68 | MAPK14 (0.36) | — | |
| SCHEMBL4978950 | 0.67 | RAB9A (0.43) | — | |
| SCHEMBL9135821 | 0.67 | HSD17B1 (0.50) | — | |
| SCHEMBL21598296 | 0.66 | SNCA (0.38) | — | |
| SCHEMBL25419165 | 0.66 | LRRK2 (0.32) | — | |
| SCHEMBL632201 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2421370-A1 | 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2012-02-29 | — | — | EP | claimed |
| WO-2010124055-A1 | 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2010-10-28 | — | — | WO | claimed |
| EP-2211619-A1 | SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES | Merck Sharp & Dohme Corp. (US) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009051705-A1 | SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES | MERCK & CO., INC. (US) | 2009-04-23 | — | — | WO | disclosed |
| EP-1940406-A2 | POTASSIUM CHANNEL INHIBITORS | Merck and Co., Inc. (US) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007050348-A2 | POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2007-05-03 | — | — | WO | disclosed |